N,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide

C25H44N2O — CID 141118852

IUPACN,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)C1=CC=CCC1CCCN1CCCCC1
InChIInChI=1S/C25H44N2O/c1-21(2)14-19-27(20-15-22(3)4)25(28)24-13-7-6-11-23(24)12-10-18-26-16-8-5-9-17-26/h6-7,13,21-23H,5,8-12,14-20H2,1-4H3
InChIKeyMTGLYJWXXUBCKT-UHFFFAOYSA-N
MW388.64 g/mol
LogP5.68
Rot. Bonds11

About N,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide

N,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 141118852) has the molecular formula C25H44N2O and a molecular weight of 388.64 g/mol. Its IUPAC name is N,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID141118852
Molecular FormulaC25H44N2O
Molecular Weight388.64 g/mol
Exact Mass388.35
IUPAC NameN,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)C1=CC=CCC1CCCN1CCCCC1
InChIInChI=1S/C25H44N2O/c1-21(2)14-19-27(20-15-22(3)4)25(28)24-13-7-6-11-23(24)12-10-18-26-16-8-5-9-17-26/h6-7,13,21-23H,5,8-12,14-20H2,1-4H3
InChIKeyMTGLYJWXXUBCKT-UHFFFAOYSA-N
XLogP5.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.64
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-5,9-dimethyl-1-piperidin-1-yldeca-2,8-dien-1-one
CID 12575259
Cambridge id 6578844
CID 2903559
(1-butyl-3,6-dihydro-2H-pyridin-4-yl)-[4-[5-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]piperidin-1-yl]methanone
CID 126749050
(2E,4E)-2-butan-2-yl-1-(4-butan-2-yl-4-fluoropiperidin-1-yl)-4,5-diethyl-6-methylhepta-2,4-dien-1-one
CID 130216715
(Z)-5-ethyl-2-[(1E)-1-fluorobuta-1,3-dienyl]-1-piperidin-1-yloct-2-en-1-one
CID 143900181
1-[4-(1-Ethyl-5-fluoro-2-oxo-3-pyridinyl)pentyl]-4-fluoro-3-propan-2-ylpyridin-2-one
CID 178099278
[(5S,6R)-6-butan-2-yl-5-methylcyclohexa-1,3-dien-1-yl]-(2,2,6,6-tetramethylpiperidin-1-yl)methanone
CID 12012473
(E)-2-butyl-1-piperidin-1-ylhept-2-en-1-one
CID 101499817
N-ethyl-N-[(1'-methyl-1,4'-bipiperidin-4-yl)methyl]-1-cyclopentene-1-carboxamide
CID 28101026
1-{3-[1-(1-Cyclohexen-1-ylcarbonyl)-4-piperidinyl]propanoyl}-4-ethylpiperazine
CID 28356482
4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide
CID 10444770
Cyclohexa-1,3-dien-1-yl(piperidin-1-yl)methanone
CID 17915762

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide (CID 141118852) is N,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide is CC(C)CCN(CCC(C)C)C(=O)C1=CC=CCC1CCCN1CCCCC1.
What is the InChIKey of N,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is MTGLYJWXXUBCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O/c1-21(2)14-19-27(20-15-22(3)4)25(28)24-13-7-6-11-23(24)12-10-18-26-16-8-5-9-17-26/h6-7,13,21-23H,5,8-12,14-20H2,1-4H3.
What are the key properties of N,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide?
N,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 388.64 g/mol, XLogP of 5.68, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-methylbutyl)-6-(3-piperidin-1-ylpropyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 141118852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).